UCSF

ZINC36928997

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 15 No

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) 1.21 3.13 -10.32 1 3 0 46 207.204 1
Mid Mid (pH 6-8) 1.39 0.55 -49.69 0 3 -1 52 206.196 1

Activity (Go SEA)

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