UCSF

ZINC00904251

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 24 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) 4.34 -4.16 -9.12 3 5 0 69 388.265 3
Mid Mid (pH 6-8) 4.34 -3.84 -27.93 4 5 1 71 389.273 3

Activity (Go SEA)

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