UCSF

ZINC35693605

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 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) -0.80 3.42 -9.46 3 4 0 68 255.321 4
Mid Mid (pH 6-8) -0.80 3.74 -47.69 4 4 1 70 256.329 4
Lo Low (pH 4.5-6) -0.80 4.19 -96.5 5 4 2 71 257.337 4

Activity (Go SEA)

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