UCSF

ZINC40161697

Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2010 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) 3.24 9.15 -37.41 1 4 1 32 302.394 8
Hi High (pH 8-9.5) 3.24 6.76 -7.71 0 4 0 31 301.386 8

Activity (Go SEA)

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