UCSF

ZINC61995073

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 14 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) 1.06 3.61 -32.93 2 3 1 29 212.342 6
Hi High (pH 8-9.5) 1.06 1.16 -4.06 1 3 0 28 211.334 6
Mid Mid (pH 6-8) 1.06 2.53 -38.33 2 3 1 33 212.342 6
Lo Low (pH 4.5-6) 1.06 4.97 -108.52 3 3 2 34 213.35 6

Activity (Go SEA)

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