UCSF

ZINC09409088

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 36 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) 4.96 9.72 -16.74 2 8 0 97 493.604 13
Hi High (pH 8-9.5) 4.96 10.84 -42.76 1 8 -1 100 492.596 13
Mid Mid (pH 6-8) 4.96 10.49 -56.44 1 8 -1 100 492.596 13
Mid Mid (pH 6-8) 4.96 10.06 -14.69 2 8 0 97 493.604 13

Activity (Go SEA)

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