UCSF

ZINC36753885

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 20 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) 1.01 6.16 -40.98 3 5 1 66 279.36 6
Hi High (pH 8-9.5) 1.01 4.31 -47.52 3 5 1 66 279.36 6
Mid Mid (pH 6-8) 1.01 3.99 -8.29 2 5 0 65 278.352 6
Lo Low (pH 4.5-6) 1.01 6.48 -112.42 4 5 2 68 280.368 6

Activity (Go SEA)

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