UCSF

ZINC25509990

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 34 Yes

Popular Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(1-naphthylmethyl)piperazin-1-yl]et 2-[[4-amino-5-(2-chlorophenyl)-1…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.31 12.06 -15.95 2 7 0 80 493.036 6 ↓
Lo Low (pH 4.5-6) 4.31 14.2 -54.43 3 7 1 81 494.044 6 ↓

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )