UCSF

ZINC42461693

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.09 3.1 -93.95 4 3 2 35 215.385 4
Hi High (pH 8-9.5) 1.09 0.97 -43.08 3 3 1 34 214.377 4

Activity (Go SEA)

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