UCSF

ZINC70515969

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 3.32 7.48 -44.81 3 3 1 42 283.395 6
Hi High (pH 8-9.5) 3.32 6.21 -7.96 2 3 0 37 282.387 6

Activity (Go SEA)

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