UCSF

ZINC29401942

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 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) 3.09 5.72 -131.13 7 5 2 90 383.536 10
Mid Mid (pH 6-8) 3.09 4.3 -54.96 6 5 1 85 382.528 10
Mid Mid (pH 6-8) 3.09 5.34 -51.49 6 5 1 88 382.528 10

Activity (Go SEA)

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