UCSF

ZINC13492498

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 20 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) 2.38 -1.05 -10.81 3 7 0 99 271.28 3
Lo Low (pH 4.5-6) 2.38 -0.21 -28 4 7 1 100 272.288 3
Lo Low (pH 4.5-6) 2.38 -4.95 -26.73 4 7 1 100 272.288 3

Activity (Go SEA)

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