UCSF

ZINC26714747

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2009 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) 2.91 4.12 -7.12 2 4 0 51 301.386 7
Mid Mid (pH 6-8) 2.91 5.39 -39.04 3 4 1 55 302.394 7

Activity (Go SEA)

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