UCSF

ZINC12535800

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 32 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) 3.09 8.62 -59.61 0 6 -1 73 437.491 7
Mid Mid (pH 6-8) 3.54 9.86 -56.93 2 6 1 71 439.507 6
Mid Mid (pH 6-8) 3.09 10.95 -75.62 1 6 0 74 438.499 7

Activity (Go SEA)

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