UCSF

ZINC44685019

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 13 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) 1.82 4.2 -32.98 2 2 1 20 183.319 4
Hi High (pH 8-9.5) 1.82 3.29 -0.9 1 2 0 15 182.311 4
Mid Mid (pH 6-8) 1.82 5.74 -29.18 2 2 1 16 183.319 4
Mid Mid (pH 6-8) 1.82 6.64 -101.91 3 2 2 21 184.327 4

Activity (Go SEA)

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