UCSF

ZINC43984170

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 21 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) 4.01 5.55 -2.43 1 2 0 15 302.384 8
Mid Mid (pH 6-8) 4.01 7.61 -31.45 2 2 1 16 303.392 8
Mid Mid (pH 6-8) 4.01 9.15 -107.28 3 2 2 21 304.4 8

Activity (Go SEA)

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