UCSF

ZINC70616914

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 1.02 2.86 -45.84 3 3 1 46 222.308 5
Hi High (pH 8-9.5) 1.02 1.44 -4.96 2 3 0 41 221.3 5

Activity (Go SEA)

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