UCSF

ZINC02529214

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 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) 1.86 3.07 -7.01 1 3 0 50 195.605 0
Hi High (pH 8-9.5) 2.32 1.11 -40.82 0 3 -1 53 194.597 0

Activity (Go SEA)

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