UCSF

ZINC00098003

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) 3.21 10.33 -15.3 0 6 0 62 334.379 4
Mid Mid (pH 6-8) 3.21 10.85 -33.31 1 6 1 63 335.387 4
Lo Low (pH 4.5-6) 3.21 10.65 -36.85 1 6 1 63 335.387 4

Activity (Go SEA)

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