UCSF

ZINC34995306

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 3.12 8.51 -108.67 3 4 2 43 292.423 9
Hi High (pH 8-9.5) 3.12 7.13 -37.42 2 4 1 39 291.415 9
Mid Mid (pH 6-8) 3.12 6.39 -45.32 2 4 1 42 291.415 9

Activity (Go SEA)

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