UCSF

ZINC35500761

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 17 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) 1.94 4.35 -53.97 3 4 1 63 233.291 3
Hi High (pH 8-9.5) 2.40 1.74 -76.11 2 4 0 66 232.283 3

Activity (Go SEA)

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