UCSF

ZINC34477141

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 28 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) 4.34 12.85 -40.43 1 4 1 34 381.54 7
Hi High (pH 8-9.5) 4.34 10.5 -5.75 0 4 0 33 380.532 7

Activity (Go SEA)

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