UCSF

ZINC13140844

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 26 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) 2.62 9.4 -59.03 2 6 1 76 376.433 6
Mid Mid (pH 6-8) 2.62 7.11 -14 1 6 0 75 375.425 6
Mid Mid (pH 6-8) 3.07 6.75 -43.39 1 6 0 80 375.425 6

Activity (Go SEA)

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