UCSF

ZINC36876349

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.31 7.4 -43.28 3 3 1 45 256.373 3
Lo Low (pH 4.5-6) 2.31 7.83 -98.53 4 3 2 47 257.381 3

Activity (Go SEA)

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