UCSF

ZINC02919812

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 28 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) 4.26 12.81 -15.28 0 6 0 62 376.46 5
Mid Mid (pH 6-8) 4.26 14.16 -49.81 2 6 1 66 377.468 5
Lo Low (pH 4.5-6) 4.26 13.14 -38.9 1 6 1 63 377.468 5

Activity (Go SEA)

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