UCSF

ZINC28766588

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 28 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) -1.36 5.58 -96.64 3 7 0 102 393.39 5
Lo Low (pH 4.5-6) -4.10 4.63 -70.42 4 7 1 105 394.398 4

Activity (Go SEA)

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