UCSF

ZINC36777558

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 21 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) 1.40 8.69 -59.55 0 5 -1 73 289.355 5
Lo Low (pH 4.5-6) 1.40 6.53 -12.79 1 5 0 71 290.363 5
Lo Low (pH 4.5-6) 1.40 6.99 -36.66 2 5 1 72 291.371 5

Activity (Go SEA)

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