UCSF

ZINC08684349

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2007 18 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) 2.51 5.16 -15.45 1 4 0 59 257.318 2
Hi High (pH 8-9.5) 2.97 3.59 -53.78 0 4 -1 62 256.31 2

Activity (Go SEA)

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