UCSF

ZINC36791919

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) 1.79 6.58 -49.69 3 3 1 44 246.309 4
Hi High (pH 8-9.5) 1.79 6.24 -7.22 2 3 0 42 245.301 4
Mid Mid (pH 6-8) 1.79 7.04 -99.19 4 3 2 45 247.317 4

Activity (Go SEA)

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