UCSF

ZINC09860947

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 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) 2.57 3.03 -14.09 3 10 0 134 464.478 7
Mid Mid (pH 6-8) 2.57 2.33 -13.56 3 10 0 134 464.478 7
Lo Low (pH 4.5-6) 2.57 3.47 -60.12 4 10 1 136 465.486 7

Activity (Go SEA)

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