UCSF

ZINC61947366

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2011 28 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) 1.31 4.3 -64.21 4 6 1 83 385.484 3
Hi High (pH 8-9.5) 1.31 2.51 -19.73 3 6 0 82 384.476 3

Activity (Go SEA)

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