UCSF

ZINC01315033

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2005 28 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) 4.44 10.95 -57.31 1 6 -1 72 385.476 4
Mid Mid (pH 6-8) 3.71 11.11 -19.64 2 6 0 75 386.484 4

Activity (Go SEA)

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