UCSF

ZINC36987995

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 20 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) 1.45 2.67 -47.51 0 6 -1 94 288.308 5
Mid Mid (pH 6-8) 1.45 2.66 -16.43 1 6 0 92 289.316 5
Lo Low (pH 4.5-6) 1.45 3.12 -50 1 6 0 95 289.316 5

Activity (Go SEA)

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