UCSF

ZINC37172747

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 3.41 7.62 -121.36 4 2 2 32 256.478 5
Mid Mid (pH 6-8) 3.41 5.27 -42.92 3 2 1 31 255.47 5

Activity (Go SEA)

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