UCSF

ZINC08845454

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 37 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) 5.39 11.17 -17.58 2 7 0 88 521.976 7
Ref Reference (pH 7) 5.39 10.51 -15.28 2 7 0 88 521.976 7
Hi High (pH 8-9.5) 5.37 11.3 -41.81 0 7 -1 87 520.968 7
Hi High (pH 8-9.5) 5.37 10.82 -53.31 0 7 -1 87 520.968 7
Hi High (pH 8-9.5) 5.39 11.34 -36.62 1 7 -1 91 520.968 7
Mid Mid (pH 6-8) 5.39 11.28 -49.85 1 7 -1 91 520.968 7

Activity (Go SEA)

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