UCSF

ZINC02382751

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 13 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) 0.54 3.42 -39.88 5 6 1 98 184.223 2
Hi High (pH 8-9.5) 0.54 3.16 -13.18 4 6 0 97 183.215 2

Activity (Go SEA)

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