UCSF

ZINC00716780

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 27 No

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) 4.06 7.04 -14.4 2 7 0 93 497.143 5
Hi High (pH 8-9.5) 4.52 5.02 -59.67 1 7 -1 96 496.135 5
Hi High (pH 8-9.5) 4.52 5.29 -47.29 1 7 -1 96 496.135 5

Activity (Go SEA)

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