UCSF

ZINC49068078

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 20 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) 1.70 4.59 -15.19 1 6 0 72 299.396 8
Mid Mid (pH 6-8) 2.26 5.59 -34.17 2 6 1 76 300.404 7
Mid Mid (pH 6-8) 1.52 5.61 -37.19 1 6 0 79 299.396 8

Activity (Go SEA)

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