UCSF

ZINC44243141

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 2.38 3.3 -44.93 0 6 -1 94 367.204 5
Lo Low (pH 4.5-6) 2.38 3.25 -14.11 1 6 0 92 368.212 5

Activity (Go SEA)

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