UCSF

ZINC34526978

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 27 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) 2.97 5.81 -16.62 3 7 0 100 382.445 6
Mid Mid (pH 6-8) 2.97 5.74 -51.32 2 7 -1 102 381.437 6
Mid Mid (pH 6-8) 2.97 5.89 -32.72 3 7 0 104 382.445 6

Activity (Go SEA)

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