UCSF

ZINC13520646

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 23 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) 3.95 9.18 -8.74 1 3 0 38 367.663 4
Mid Mid (pH 6-8) 3.95 9.68 -32.5 2 3 1 39 368.671 4

Activity (Go SEA)

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