UCSF

ZINC37140320

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 2.03 2.84 -39.49 4 4 1 63 256.414 8
Mid Mid (pH 6-8) 2.03 5.03 -104.58 5 4 2 64 257.422 8

Activity (Go SEA)

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