UCSF

ZINC15228431

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2008 34 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) 4.53 12.32 -74.24 1 6 0 74 468.569 9
Mid Mid (pH 6-8) 4.98 11.17 -59 2 6 1 71 469.577 8
Mid Mid (pH 6-8) 3.95 12.14 -57.79 1 6 1 68 469.577 9

Activity (Go SEA)

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