UCSF

ZINC62973974

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 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) 1.01 4.18 -116.1 3 4 2 34 257.422 6
Hi High (pH 8-9.5) 1.01 2.07 -1.79 1 4 0 28 255.406 6
Mid Mid (pH 6-8) 1.01 2.1 -35.67 2 4 1 32 256.414 6

Activity (Go SEA)

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