UCSF

ZINC01569549

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 19 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) 1.61 7.36 -53.63 2 7 -1 110 262.293 7
Lo Low (pH 4.5-6) 1.61 7.62 -66.42 3 7 0 111 263.301 7
Lo Low (pH 4.5-6) 1.61 3.24 -66.53 3 7 0 111 263.301 7

Activity (Go SEA)

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