UCSF

ZINC37140558

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 0.20 -1.74 -47.67 5 6 1 92 292.359 4
Hi High (pH 8-9.5) 0.20 -2.74 -12.4 4 6 0 88 291.351 4
Mid Mid (pH 6-8) 0.20 -0.54 -46.42 5 6 1 89 292.359 4

Activity (Go SEA)

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