UCSF

ZINC03306882

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 31 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) 4.96 12.82 -10.53 1 9 0 134 438.465 5
Hi High (pH 8-9.5) 5.03 10.41 -36.12 0 9 -1 140 437.457 5

Activity (Go SEA)

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