UCSF

ZINC15188436

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2008 33 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) 5.21 10.92 -15.7 0 6 0 64 459.468 7
Mid Mid (pH 6-8) 5.21 13.47 -54.52 1 6 1 65 460.476 7
Lo Low (pH 4.5-6) 5.21 13.2 -55.06 1 6 1 65 460.476 7

Activity (Go SEA)

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