UCSF

ZINC60460800

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2011 26 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) 1.72 3.8 -49.57 2 9 -1 144 374.354 6
Mid Mid (pH 6-8) 1.72 3.82 -94 1 9 -2 146 373.346 6
Mid Mid (pH 6-8) 1.72 2.84 -45.81 2 9 -1 143 374.354 6
Mid Mid (pH 6-8) 1.72 2.81 -22.14 3 9 0 141 375.362 6

Activity (Go SEA)

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