UCSF

ZINC19966987

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 1.20 4.1 -11.04 0 5 0 52 274.32 3
Mid Mid (pH 6-8) 1.20 6.44 -49.88 1 5 1 53 275.328 3

Activity (Go SEA)

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