UCSF

ZINC20000884

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 22 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) 1.90 2.19 -42.96 4 6 1 92 302.402 2
Hi High (pH 8-9.5) 2.01 -0.05 -10.1 2 6 0 87 301.394 2
Lo Low (pH 4.5-6) 1.90 3.13 -102 5 6 2 94 303.41 2

Activity (Go SEA)

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