UCSF

ZINC37856643

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 0.48 0.8 -14.13 1 8 0 100 335.407 4
Mid Mid (pH 6-8) 0.94 -1.43 -43.65 0 8 -1 103 334.399 4

Activity (Go SEA)

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