UCSF

ZINC37168787

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 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) 1.44 4.8 -32.9 2 4 1 35 267.393 2
Hi High (pH 8-9.5) 1.44 2.24 -3.59 1 4 0 34 266.385 2
Lo Low (pH 4.5-6) 1.44 5.96 -109.52 3 4 2 40 268.401 2

Activity (Go SEA)

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