UCSF

ZINC00320008

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 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) 5.32 -0.07 -9.88 1 4 0 38 335.451 4
Mid Mid (pH 6-8) 5.32 0.14 -25.21 2 4 1 39 336.459 4

Activity (Go SEA)

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