UCSF

ZINC37500665

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 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) 1.33 1.95 -4.57 1 3 0 33 221.3 3
Mid Mid (pH 6-8) 1.33 4.18 -35.23 2 3 1 34 222.308 3

Activity (Go SEA)

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