UCSF

ZINC36826685

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 19 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) 3.73 6.19 -51.03 3 2 1 31 344.342 3
Mid Mid (pH 6-8) 3.73 8 -29.31 3 2 1 30 344.342 3
Mid Mid (pH 6-8) 3.73 8.11 -126.08 4 2 2 32 345.35 3

Activity (Go SEA)

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