UCSF

ZINC36990307

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 1.89 2.8 -38.93 3 4 1 49 242.387 6
Mid Mid (pH 6-8) 1.89 4.97 -103.52 4 4 2 50 243.395 6

Activity (Go SEA)

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