UCSF

ZINC36747686

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 20 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) 1.53 4.91 -57.95 2 6 -1 101 274.3 5
Mid Mid (pH 6-8) 1.53 5.37 -53.08 3 6 0 102 275.308 5

Activity (Go SEA)

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