UCSF

ZINC36746581

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 17 Yes

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) 0.70 2.49 -59.45 2 6 -1 94 256.669 5
Lo Low (pH 4.5-6) 0.70 2.91 -43.17 3 6 0 95 257.677 5

Activity (Go SEA)

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