UCSF

ZINC06482223

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 25 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) 1.28 5.21 -19.77 3 8 0 109 363.443 7
Mid Mid (pH 6-8) 1.74 3.47 -59.23 2 8 -1 112 362.435 7

Activity (Go SEA)

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