UCSF

ZINC34537670

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 35 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) 6.53 9.91 -10.35 0 6 0 49 491.609 9
Mid Mid (pH 6-8) 6.53 12.21 -43.32 1 6 1 51 492.617 9

Activity (Go SEA)

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