UCSF

ZINC15071203

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2008 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) 3.82 10.45 -40.07 1 4 1 26 373.561 7
Hi High (pH 8-9.5) 3.82 8 -4.19 0 4 0 25 372.553 7
Mid Mid (pH 6-8) 3.82 9.91 -35.99 1 4 1 26 373.561 7

Activity (Go SEA)

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