UCSF

ZINC37793206

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) 0.88 4.18 -60.78 1 6 -1 82 299.391 7
Mid Mid (pH 6-8) 0.88 6.57 -70.28 2 6 0 83 300.399 7
Lo Low (pH 4.5-6) 0.88 4.72 -49.14 3 6 1 80 301.407 7

Activity (Go SEA)

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