UCSF

ZINC34874622

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 17 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) 2.61 9.33 -140.47 0 4 -2 80 238.283 4
Lo Low (pH 4.5-6) 2.61 7.33 -50.06 1 4 -1 77 239.291 4
Lo Low (pH 4.5-6) 2.61 7.49 -59.93 1 4 -1 77 239.291 4

Activity (Go SEA)

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