UCSF

ZINC37081982

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 0.61 4.6 -25.19 3 3 1 43 208.329 5
Hi High (pH 8-9.5) 0.61 3.18 -2.05 2 3 0 42 207.321 5
Mid Mid (pH 6-8) 0.61 4.98 -113.37 4 3 2 45 209.337 5
Mid Mid (pH 6-8) 0.61 3.53 -41.34 3 3 1 44 208.329 5
Lo Low (pH 4.5-6) 0.61 2.67 -98.95 4 3 2 45 209.337 5

Activity (Go SEA)

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