UCSF

ZINC19913775

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 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) 3.05 3.26 -11.09 3 3 0 52 255.317 3
Hi High (pH 8-9.5) 3.05 4.04 -44.99 2 3 -1 55 254.309 3

Activity (Go SEA)

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