UCSF

ZINC37858138

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 25 No

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) 2.42 7.49 -43.66 2 5 1 68 337.399 3
Mid Mid (pH 6-8) 2.42 8.26 -30.3 1 5 0 71 336.391 3
Lo Low (pH 4.5-6) 2.42 7.95 -80.88 3 5 2 69 338.407 3

Activity (Go SEA)

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