UCSF

ZINC44242731

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 2.68 1.72 -36.56 2 5 -1 87 361.628 3
Lo Low (pH 4.5-6) 2.68 1.71 -7.88 3 5 0 85 362.636 3

Activity (Go SEA)

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