UCSF

ZINC41196699

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 21 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) 3.08 7.74 -34.83 2 3 1 39 303.451 4
Hi High (pH 8-9.5) 3.08 6.72 -7.18 1 3 0 34 302.443 4

Activity (Go SEA)

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