UCSF

ZINC09087740

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 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) 3.99 9.48 -57.75 0 5 -1 70 382.411 7
Mid Mid (pH 6-8) 3.40 1.72 -11.08 0 5 0 63 383.419 7
Lo Low (pH 4.5-6) 3.99 8.67 -13.26 1 5 0 67 383.419 7

Activity (Go SEA)

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