UCSF

ZINC15779591

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 28 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) 3.44 10.34 -43.06 1 5 1 37 388.486 5
Mid Mid (pH 6-8) 3.44 7.96 -11.44 0 5 0 35 387.478 5

Activity (Go SEA)

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