UCSF

ZINC37112865

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) 1.09 3.54 -96.81 4 3 2 41 204.358 8
Hi High (pH 8-9.5) 1.09 4.12 -37.15 3 3 1 44 203.35 8
Hi High (pH 8-9.5) 1.09 2.19 -30.03 3 3 1 37 203.35 8

Activity (Go SEA)

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