UCSF

ZINC21517492

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 19 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) 2.52 7.14 -46.17 2 6 1 72 268.337 8
Hi High (pH 8-9.5) 2.52 4.93 -6.89 1 6 0 70 267.329 8

Activity (Go SEA)

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