UCSF

ZINC54244663

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2010 16 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) 1.02 1.03 -49.11 3 4 1 63 251.278 5
Hi High (pH 8-9.5) 1.02 -0.43 -11.1 2 4 0 58 250.27 5

Activity (Go SEA)

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