UCSF

ZINC09087331

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 31 No

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) 2.68 10.17 -18.46 2 8 0 99 418.453 4
Hi High (pH 8-9.5) 2.68 11.12 -67.15 1 8 -1 101 417.445 4
Mid Mid (pH 6-8) 2.86 10.73 -59.58 3 8 1 103 419.461 4

Activity (Go SEA)

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