UCSF

ZINC34972019

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 19 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) 3.95 6.47 -54.38 3 2 1 37 329.164 3
Mid Mid (pH 6-8) 3.95 6.13 -5.73 2 2 0 35 328.156 3

Activity (Go SEA)

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