UCSF

ZINC36780068

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 3.17 9.89 -56.24 0 4 -1 58 243.286 3
Mid Mid (pH 6-8) 3.17 10.37 -61.06 1 4 0 59 244.294 3

Activity (Go SEA)

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