UCSF

ZINC08830563

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 40 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) -5.40 -14.28 -165.71 20 19 3 343 586.62 11
Mid Mid (pH 6-8) -5.40 -15.48 -100.6 19 19 2 338 585.612 11

Activity (Go SEA)

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