UCSF

ZINC58970659

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2011 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) 0.10 4.6 -41.51 1 5 1 37 258.386 6
Mid Mid (pH 6-8) 0.10 4.53 -43.34 1 5 1 37 258.386 6
Lo Low (pH 4.5-6) 0.10 6.99 -101.4 2 5 2 38 259.394 6

Activity (Go SEA)

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