UCSF

ZINC33794947

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 24 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) 3.04 14.45 -14.61 0 4 0 36 314.392 5
Mid Mid (pH 6-8) 3.04 14.96 -41.47 1 4 1 37 315.4 5
Lo Low (pH 4.5-6) 3.04 15.47 -75.21 2 4 2 38 316.408 5

Activity (Go SEA)

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