UCSF

ZINC04270319

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 27 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) 1.80 4.8 -19.22 2 7 0 96 385.445 4
Hi High (pH 8-9.5) 1.80 4.82 -55.86 1 7 -1 98 384.437 4

Activity (Go SEA)

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