UCSF

ZINC13646930

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 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) 4.41 7.37 -16.67 3 6 0 90 370.412 4
Ref Reference (pH 7) 4.41 7.04 -13.63 3 6 0 90 370.412 4
Hi High (pH 8-9.5) 4.41 8.03 -67.21 2 6 -1 93 369.404 4
Mid Mid (pH 6-8) 4.41 6.99 -12.84 3 6 0 90 370.412 4
Mid Mid (pH 6-8) 4.41 7.32 -15.24 3 6 0 90 370.412 4

Activity (Go SEA)

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