UCSF

ZINC34996401

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 0.67 6.3 -116.28 3 4 2 41 255.406 3
Mid Mid (pH 6-8) 0.67 4.05 -47.39 2 4 1 40 254.398 3
Mid Mid (pH 6-8) 0.67 5.29 -41.3 2 4 1 37 254.398 3

Activity (Go SEA)

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