UCSF

ZINC36984017

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 2.38 2.59 -49.08 3 3 1 34 373.262 5
Hi High (pH 8-9.5) 2.38 2.24 -3.86 2 3 0 32 372.254 5
Mid Mid (pH 6-8) 2.38 4.7 -110.22 4 3 2 35 374.27 5

Activity (Go SEA)

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