UCSF

ZINC04716052

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2005 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) 3.82 9.81 -15.67 0 6 0 65 384.237 3
Ref Reference (pH 7) 3.83 10.18 -7.85 1 6 0 68 384.237 3
Mid Mid (pH 6-8) 3.83 10.39 -34.79 2 6 1 70 385.245 3

Activity (Go SEA)

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