UCSF

ZINC34223367

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 37 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) 4.08 11.96 -56.86 2 7 1 73 523.675 10
Hi High (pH 8-9.5) 4.08 9.65 -15.95 1 7 0 71 522.667 10

Activity (Go SEA)

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