UCSF

ZINC15721435

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 -1.34 -104.23 12 12 2 213 442.565 13
Mid Mid (pH 6-8) -3.10 -1.64 -42.34 11 12 1 211 441.557 13

Activity (Go SEA)

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