UCSF

ZINC36984974

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 1.96 8.1 -36.51 1 3 1 31 258.389 5
Mid Mid (pH 6-8) 1.96 5.83 -7.13 0 3 0 30 257.381 5
Mid Mid (pH 6-8) 1.96 7.74 -40.43 1 3 1 31 258.389 5

Activity (Go SEA)

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