UCSF

ZINC70928430

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2011 16 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) 1.04 2.83 -6.73 0 5 0 42 230.308 6
Mid Mid (pH 6-8) 1.04 5.08 -39.72 1 5 1 43 231.316 6

Activity (Go SEA)

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