UCSF

ZINC09272132

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 33 No

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) 2.74 8.63 -43.84 0 8 -1 101 448.451 8
Mid Mid (pH 6-8) 3.18 7.04 -29.8 1 8 0 98 449.459 7
Mid Mid (pH 6-8) 2.15 8.06 -20.93 0 8 0 95 449.459 8

Activity (Go SEA)

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