UCSF

ZINC62954813

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 3.70 6.53 -4.88 1 2 0 23 265.372 4
Lo Low (pH 4.5-6) 3.70 6.84 -30.82 2 2 1 25 266.38 4

Activity (Go SEA)

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