UCSF

ZINC37825940

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.22 2.41 -48.81 3 6 1 77 272.369 7
Mid Mid (pH 6-8) 0.22 2.1 -10.7 2 6 0 76 271.361 7
Lo Low (pH 4.5-6) 0.22 4.55 -106.44 4 6 2 79 273.377 7

Activity (Go SEA)

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