UCSF

ZINC00201054

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 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) 4.15 -0.53 -15.63 1 4 0 46 335.451 6
Mid Mid (pH 6-8) 0.74 -0.36 -35.78 2 4 1 48 336.459 6

Activity (Go SEA)

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