UCSF

ZINC03638431

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 15 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) 1.99 4.23 -9.18 1 3 0 50 197.193 0
Hi High (pH 8-9.5) 2.45 2.27 -47.64 0 3 -1 53 196.185 0

Activity (Go SEA)

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