UCSF

ZINC26439279

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 22 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) 2.12 7 -42.48 2 5 1 50 323.486 4
Hi High (pH 8-9.5) 1.94 5.93 -53.93 1 5 0 56 322.478 4
Mid Mid (pH 6-8) 1.94 5.93 -33.09 1 5 0 56 322.478 4
Mid Mid (pH 6-8) 2.68 6.33 -32.29 2 5 1 53 323.486 3

Activity (Go SEA)

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