UCSF

ZINC70302529

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 21 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) 0.57 -1.3 -42.41 5 8 0 137 305.319 3
Hi High (pH 8-9.5) 0.57 -1.79 -40.95 4 8 -1 136 304.311 3
Mid Mid (pH 6-8) 0.57 -1.31 -45.56 6 8 1 135 306.327 3
Mid Mid (pH 6-8) 0.57 -1.79 -14.93 5 8 0 134 305.319 3

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.