UCSF

ZINC37793212

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 0.97 4.25 -60.74 1 6 -1 82 299.391 8
Mid Mid (pH 6-8) 0.97 6.63 -78.56 2 6 0 83 300.399 8
Lo Low (pH 4.5-6) 0.97 4.23 -43.76 3 6 1 80 301.407 8

Activity (Go SEA)

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