UCSF

ZINC35500595

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 19 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) 3.14 1.82 -72.78 2 5 0 79 323.146 3
Hi High (pH 8-9.5) 2.68 3.19 -8.44 2 5 0 71 323.146 3
Hi High (pH 8-9.5) 3.14 0.57 -46.89 1 5 -1 74 322.138 3
Mid Mid (pH 6-8) 2.68 4.45 -53.83 3 5 1 76 324.154 3

Activity (Go SEA)

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