UCSF

ZINC03016977

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 31 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 -7.31 -17.25 2 7 0 101 480.995 7
Hi High (pH 8-9.5) 4.96 -6.74 -52.01 1 7 -1 103 479.987 7
Hi High (pH 8-9.5) 4.96 -6.74 -42.6 1 7 -1 103 479.987 7
Hi High (pH 8-9.5) 4.96 -6.16 -98.97 0 7 -2 105 478.979 7

Activity (Go SEA)

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