UCSF

ZINC19370448

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 23 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) 1.69 6.34 -45.94 1 5 1 39 312.393 4
Mid Mid (pH 6-8) 1.69 6.33 -46.04 1 5 1 39 312.393 4
Mid Mid (pH 6-8) 1.69 4.01 -8.26 0 5 0 38 311.385 4
Lo Low (pH 4.5-6) 1.68 6.69 -95.12 2 5 2 40 313.401 4

Activity (Go SEA)

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