UCSF

ZINC34995915

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 4.29 7.94 -39.88 2 2 1 20 281.508 6
Hi High (pH 8-9.5) 4.29 9.02 -28.55 2 2 1 16 281.508 6
Mid Mid (pH 6-8) 4.29 10.2 -112.54 3 2 2 21 282.516 6

Activity (Go SEA)

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