UCSF

ZINC08606536

Substance Information

In ZINC since Heavy atoms Benign functionality
June 15th, 2007 36 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) 3.97 8.71 -19.88 2 8 0 97 485.54 9
Mid Mid (pH 6-8) 3.97 9.47 -60.02 1 8 -1 100 484.532 9

Activity (Go SEA)

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