UCSF

ZINC24987115

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 26 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) 1.06 4.43 -40.91 4 7 1 91 374.49 3
Hi High (pH 8-9.5) 1.06 3.96 -13.89 3 7 0 90 373.482 3
Mid Mid (pH 6-8) 1.06 5.17 -54.67 4 7 1 95 374.49 3

Activity (Go SEA)

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