UCSF

ZINC35167702

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 16 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) 2.28 8.46 -40.69 1 3 1 22 218.324 4
Mid Mid (pH 6-8) 2.28 5.99 -7.5 0 3 0 21 217.316 4
Mid Mid (pH 6-8) 2.28 6.48 -23.62 1 3 1 22 218.324 4

Activity (Go SEA)

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