UCSF

ZINC00608472

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 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) 3.64 8.95 -8.59 0 4 0 41 330.453 3
Mid Mid (pH 6-8) 3.64 8.25 -38.58 1 4 1 42 331.461 3

Activity (Go SEA)

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