UCSF

ZINC34994725

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 17 No

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) 3.85 8.46 -57.26 2 4 1 62 302.192 6
Hi High (pH 8-9.5) 3.85 7.11 -7.38 1 4 0 58 301.184 6

Activity (Go SEA)

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