UCSF

ZINC37996978

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 No

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) 0.51 7.53 -52.4 2 5 1 60 253.351 6
Mid Mid (pH 6-8) 0.51 6.16 -14.4 1 5 0 56 252.343 6

Activity (Go SEA)

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