UCSF

ZINC20358910

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 35 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) 4.39 8.66 -44.53 2 8 1 94 493.458 7
Hi High (pH 8-9.5) 4.39 7.06 -39.18 0 8 -1 95 491.442 7
Mid Mid (pH 6-8) 4.39 6.29 -10.53 1 8 0 92 492.45 7
Mid Mid (pH 6-8) 4.39 8.54 -48.38 2 8 1 94 493.458 7

Activity (Go SEA)

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