UCSF

ZINC37267328

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) 0.24 5.13 -104.84 3 4 2 41 215.341 4
Hi High (pH 8-9.5) 0.24 3.95 -39.68 2 4 1 37 214.333 4
Mid Mid (pH 6-8) 0.24 2.74 -40.17 2 4 1 40 214.333 4

Activity (Go SEA)

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