UCSF

ZINC08845164

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 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) 5.29 9.71 -14.49 3 7 0 99 503.986 6
Ref Reference (pH 7) 5.29 9.34 -16.31 3 7 0 99 503.986 6
Hi High (pH 8-9.5) 5.29 10.48 -42.63 2 7 -1 102 502.978 6
Hi High (pH 8-9.5) 5.06 9.88 -48.9 1 7 -1 98 502.978 6
Hi High (pH 8-9.5) 5.06 9.6 -61.42 1 7 -1 98 502.978 6

Activity (Go SEA)

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