UCSF

ZINC00493700

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 15 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) 1.00 2.11 -10.5 1 4 0 55 205.213 2
Ref Reference (pH 7) 1.00 2.11 -10.52 1 4 0 55 205.213 2
Hi High (pH 8-9.5) 1.18 -0.43 -43.64 0 4 -1 62 204.205 2
Hi High (pH 8-9.5) 1.18 -0.43 -43.67 0 4 -1 62 204.205 2

Activity (Go SEA)

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