UCSF

ZINC31996445

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 9 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) -1.29 -1.42 -29.65 4 3 1 51 131.199 2
Lo Low (pH 4.5-6) -1.29 -1.11 -108.3 5 3 2 52 132.207 2

Activity (Go SEA)

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