UCSF

ZINC44693612

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 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) 1.45 5.28 -49.13 2 5 1 61 268.333 10
Hi High (pH 8-9.5) 1.45 3.92 -7.88 1 5 0 57 267.325 10

Activity (Go SEA)

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