UCSF

ZINC33068428

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2009 32 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) 1.30 7.25 -23.41 0 9 0 86 436.468 4
Mid Mid (pH 6-8) 1.30 9.59 -70.21 1 9 1 87 437.476 4

Activity (Go SEA)

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