UCSF

ZINC09472413

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 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) 4.01 2.18 -13.55 1 6 0 79 435.451 7
Mid Mid (pH 6-8) 3.42 2.09 -20.12 0 6 0 76 435.451 7

Activity (Go SEA)

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