UCSF

ZINC27205060

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 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) 3.33 9.28 -19.04 1 4 0 64 286.327 7
Mid Mid (pH 6-8) 3.33 10.12 -61.34 0 4 -1 66 285.319 7

Activity (Go SEA)

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