UCSF

ZINC34985522

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 33 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) 1.47 8.73 -60.15 4 7 1 100 457.591 7
Hi High (pH 8-9.5) 1.47 8.74 -64.2 3 7 0 95 456.583 7
Hi High (pH 8-9.5) 1.47 6.09 -42.78 2 7 -1 94 455.575 7
Mid Mid (pH 6-8) 1.47 6.8 -29.17 3 7 0 99 456.583 7

Activity (Go SEA)

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