UCSF

ZINC38050742

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2009 19 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) 0.75 1.8 -50.34 6 5 1 96 263.365 3
Mid Mid (pH 6-8) 0.75 2.11 -105.7 7 5 2 97 264.373 3

Activity (Go SEA)

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