UCSF

ZINC37187481

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 4.84 9.05 -40.1 2 3 1 43 244.399 12
Mid Mid (pH 6-8) 4.84 8 -4.23 1 3 0 38 243.391 12

Activity (Go SEA)

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