UCSF

ZINC24985595

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 28 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) 1.28 5.61 -44.83 4 7 1 91 386.451 3
Hi High (pH 8-9.5) 1.28 5.15 -16.68 3 7 0 90 385.443 3
Mid Mid (pH 6-8) 1.28 6.34 -54.63 4 7 1 95 386.451 3

Activity (Go SEA)

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