UCSF

ZINC08743120

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 21 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) 2.95 5.35 -22.57 2 6 0 76 306.391 5
Hi High (pH 8-9.5) 2.58 4.19 -48.79 1 6 -1 82 305.383 6

Activity (Go SEA)

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