UCSF

ZINC53096917

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 12 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) 1.60 2.58 -30.23 3 2 1 37 168.26 3
Mid Mid (pH 6-8) 1.60 1.34 -4.23 2 2 0 32 167.252 3

Activity (Go SEA)

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