UCSF

ZINC35678911

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 17 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) 1.88 2.46 -46.12 0 5 -1 74 313.156 3
Lo Low (pH 4.5-6) 1.88 2.92 -49.65 1 5 0 75 314.164 3

Activity (Go SEA)

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