UCSF

ZINC09472423

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 34 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) 3.20 2 -15.82 1 7 0 96 460.461 7
Mid Mid (pH 6-8) 2.62 1.84 -21.82 0 7 0 93 460.461 7
Lo Low (pH 4.5-6) 3.20 2.11 -50.1 2 7 1 98 461.469 7
Lo Low (pH 4.5-6) 2.62 1.95 -58.33 1 7 1 94 461.469 7

Activity (Go SEA)

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