UCSF

ZINC34957545

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 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) 2.13 -0.19 -13.1 4 5 0 92 300.286 3
Mid Mid (pH 6-8) 2.13 -0.16 -50.42 3 5 -1 94 299.278 3

Activity (Go SEA)

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