UCSF

ZINC37025324

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 12 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) 0.71 4.08 -45.82 3 3 1 54 192.304 7
Mid Mid (pH 6-8) 0.71 3.73 -5.95 2 3 0 52 191.296 7

Activity (Go SEA)

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