UCSF

ZINC34551445

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 17 No

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) 3.20 7.57 -4.88 0 3 0 24 252.745 1
Mid Mid (pH 6-8) 3.20 7.46 -38.28 1 3 1 25 253.753 1

Activity (Go SEA)

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