UCSF

ZINC33585212

Substance Information

In ZINC since Heavy atoms Benign functionality
July 13th, 2009 27 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) 3.14 6.04 -18.22 3 6 0 87 361.401 5
Hi High (pH 8-9.5) 3.59 5.05 -46.51 2 6 -1 90 360.393 5

Activity (Go SEA)

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