UCSF

ZINC50664440

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2010 31 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) 7.04 13.09 -16.55 2 6 0 87 446.557 5
Lo Low (pH 4.5-6) 7.04 12.81 -27.01 3 6 1 88 447.565 5
Lo Low (pH 4.5-6) 7.04 13.21 -27.84 3 6 1 88 447.565 5

Activity (Go SEA)

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