UCSF

ZINC37051831

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 18 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) 1.83 7.06 -37.79 2 3 1 34 262.402 3
Hi High (pH 8-9.5) 1.83 6.06 -6.69 1 3 0 30 261.394 3
Lo Low (pH 4.5-6) 1.83 7.22 -96.42 3 3 2 36 263.41 3

Activity (Go SEA)

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