UCSF

ZINC36790823

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 12 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) 1.47 3.7 -98.71 5 3 2 56 173.304 6
Mid Mid (pH 6-8) -1.44 3.87 -25.98 5 3 1 56 172.296 6

Activity (Go SEA)

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