UCSF

ZINC08836979

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 37 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) 4.69 11.46 -56.3 0 9 -1 122 517.539 8
Mid Mid (pH 6-8) 4.11 1.22 -14.7 0 9 0 116 518.547 8
Lo Low (pH 4.5-6) 4.69 10.65 -17.01 1 9 0 119 518.547 8

Activity (Go SEA)

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