UCSF

ZINC53376980

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 15 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) 1.54 4.84 -31.46 2 3 1 26 215.361 8
Hi High (pH 8-9.5) 1.54 2.58 -1.53 1 3 0 24 214.353 8
Mid Mid (pH 6-8) 1.54 6.2 -108.27 3 3 2 30 216.369 8
Mid Mid (pH 6-8) 1.54 3.95 -35.25 2 3 1 29 215.361 8

Activity (Go SEA)

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