UCSF

ZINC13652415

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 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) 1.54 9.88 -16.59 0 8 0 88 322.365 8
Mid Mid (pH 6-8) 1.54 10.35 -53.25 1 8 1 89 323.373 8

Activity (Go SEA)

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