UCSF

ZINC37856654

Substance Information

In ZINC since Heavy atoms Benign functionality
December 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) 1.46 1.21 -12.18 2 5 0 79 302.352 4
Mid Mid (pH 6-8) 1.91 -1.07 -40.58 1 5 -1 82 301.344 4

Activity (Go SEA)

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