UCSF

ZINC44692087

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 18 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) 1.99 2 -42.92 3 5 1 65 254.306 6
Hi High (pH 8-9.5) 1.99 2.66 -30.59 2 5 0 67 253.298 6

Activity (Go SEA)

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