UCSF

ZINC22763265

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 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) 0.13 4.49 -44.86 1 5 0 57 242.319 5
Lo Low (pH 4.5-6) 0.13 6.62 -100 2 5 1 58 243.327 5

Activity (Go SEA)

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