UCSF

ZINC36996712

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.30 8.19 -29.83 2 2 1 16 310.259 3
Mid Mid (pH 6-8) 3.30 7.21 -32.83 2 2 1 20 310.259 3
Lo Low (pH 4.5-6) 3.30 9.47 -105.07 3 2 2 21 311.267 3

Activity (Go SEA)

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