UCSF

ZINC34550334

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 4.91 10.52 -28.71 1 1 1 4 244.402 0
Hi High (pH 8-9.5) 4.91 9.65 -3.26 0 1 0 3 243.394 0

Activity (Go SEA)

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