UCSF

ZINC20138602

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 18 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) 3.95 7.65 -35.07 2 2 1 20 255.47 7
Lo Low (pH 4.5-6) 3.95 9.85 -100.06 3 2 2 21 256.478 7

Activity (Go SEA)

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