UCSF

ZINC01061536

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 24 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) 6.12 10.04 -42.7 0 3 -1 49 400.321 5
Mid Mid (pH 6-8) 6.12 -2.42 -10.72 1 3 0 46 401.329 5

Activity (Go SEA)

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