UCSF

ZINC24765496

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 27 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) 1.20 9.95 -59.16 2 7 1 72 368.461 5
Hi High (pH 8-9.5) 1.20 7.72 -18.32 1 7 0 70 367.453 5

Activity (Go SEA)

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