UCSF

ZINC44068825

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 10 Yes

Other Names:

MFCD11501293

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) 0.40 1.33 -35.3 3 2 1 29 141.238 0
Hi High (pH 8-9.5) 0.40 1.19 -32.07 3 2 1 29 141.238 0
Mid Mid (pH 6-8) 0.40 2.51 -102.12 4 2 2 33 142.246 0

Activity (Go SEA)

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