UCSF

ZINC01514688

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 23 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) 4.79 -4.3 -9.84 1 4 0 59 385.297 4
Hi High (pH 8-9.5) 4.79 -3.73 -37.55 0 4 -1 61 384.289 4

Activity (Go SEA)

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