UCSF

ZINC34999856

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 39 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) 6.03 17.15 -40.93 3 6 1 61 517.701 8
Hi High (pH 8-9.5) 6.03 14.88 -9.56 2 6 0 60 516.693 8

Activity (Go SEA)

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