UCSF

ZINC36777544

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) 0.89 6.49 -38.25 1 3 1 41 204.297 5
Mid Mid (pH 6-8) 0.89 5.23 -30.75 1 3 1 41 204.297 5
Mid Mid (pH 6-8) 0.89 4.58 -9.42 0 3 0 40 203.289 5

Activity (Go SEA)

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