UCSF

ZINC04040157

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 30 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) 1.18 6.79 -63.21 2 9 0 120 415.446 8
Hi High (pH 8-9.5) 1.18 4.32 -49.13 1 9 -1 119 414.438 8
Lo Low (pH 4.5-6) 1.18 6.04 -50.62 3 9 1 117 416.454 8

Activity (Go SEA)

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