UCSF

ZINC13659215

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 26 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) 4.20 8.58 -16.67 1 5 0 66 385.514 4
Mid Mid (pH 6-8) 4.66 7.34 -47.36 0 5 -1 69 384.506 4

Activity (Go SEA)

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