UCSF

ZINC37078331

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 11 Yes

Other Names:

MFCD27995851

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) 1.17 3.53 -24.51 3 3 1 43 152.221 2
Mid Mid (pH 6-8) 1.17 3.14 -5.27 2 3 0 42 151.213 2

Activity (Go SEA)

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