UCSF

ZINC06575280

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2006 15 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) 1.53 6.16 -14.08 1 4 0 65 198.229 3
Hi High (pH 8-9.5) 1.53 6.01 -39.07 0 4 -1 64 197.221 3

Activity (Go SEA)

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