UCSF

ZINC36743000

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 2.18 2.14 -39.98 2 5 -1 87 406.079 3
Lo Low (pH 4.5-6) 2.18 2.6 -40.23 3 5 0 88 407.087 3
Lo Low (pH 4.5-6) 2.18 1.96 -9.84 3 5 0 85 407.087 3

Activity (Go SEA)

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