UCSF

ZINC08047427

Substance Information

In ZINC since Heavy atoms Benign functionality
June 29th, 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) 1.64 0.43 -13.69 3 4 0 65 204.229 1
Hi High (pH 8-9.5) 1.64 1.12 -55.9 2 4 -1 68 203.221 1

Activity (Go SEA)

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