UCSF

ZINC05542523

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 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) 2.95 2.89 -11.28 3 5 0 81 267.288 2
Hi High (pH 8-9.5) 2.95 2.46 -39.89 2 5 -1 84 266.28 2
Lo Low (pH 4.5-6) 2.95 3.35 -42.76 4 5 1 83 268.296 2
Lo Low (pH 4.5-6) 2.95 2.11 -43.45 4 5 1 83 268.296 2

Activity (Go SEA)

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