UCSF

ZINC09471408

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 37 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) 3.31 9.51 -44.31 0 9 -1 114 514.539 6
Mid Mid (pH 6-8) 3.76 8.11 -30.2 1 9 0 111 515.547 5
Mid Mid (pH 6-8) 0.02 2.37 -11.2 0 7 0 60 334.42 3
Mid Mid (pH 6-8) 0.02 4.6 -47.78 1 7 1 61 335.428 3
Lo Low (pH 4.5-6) 3.76 8.4 -61.17 2 9 1 112 516.555 5

Activity (Go SEA)

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