UCSF

ZINC61994991

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 20 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) 1.93 7.86 -41.27 2 4 1 34 273.404 7
Hi High (pH 8-9.5) 1.93 5.42 -8.99 1 4 0 33 272.396 7
Mid Mid (pH 6-8) 1.93 8.35 -80.76 3 4 2 36 274.412 7

Activity (Go SEA)

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