UCSF

ZINC37081292

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 12 Yes

Other Names:

MFCD11624141

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) 1.39 6.16 -106.29 3 2 2 21 170.3 3
Hi High (pH 8-9.5) 1.39 4.08 -31.27 2 2 1 20 169.292 3
Mid Mid (pH 6-8) 1.39 4.91 -30.02 2 2 1 16 169.292 3

Activity (Go SEA)

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