UCSF

ZINC37856642

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 1.90 2.3 -10.18 1 5 0 70 278.399 6
Mid Mid (pH 6-8) 2.35 0.07 -42.48 0 5 -1 73 277.391 6

Activity (Go SEA)

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