UCSF

ZINC15779448

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 31 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) 3.10 10.33 -41.24 1 7 1 55 426.585 8
Mid Mid (pH 6-8) 3.10 7.97 -10.39 0 7 0 54 425.577 8

Activity (Go SEA)

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