UCSF

ZINC19794934

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 22 Yes

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) 1.94 7.62 -102.1 3 4 2 38 306.45 6
Hi High (pH 8-9.5) 1.94 2.94 -6.09 1 4 0 36 304.434 6
Mid Mid (pH 6-8) 1.94 5.23 -36.58 2 4 1 37 305.442 6

Activity (Go SEA)

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