UCSF

ZINC31933738

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 1.24 4.22 -13.4 2 5 0 71 300.387 4
Mid Mid (pH 6-8) 1.24 5.62 -56.7 3 5 1 75 301.395 4
Lo Low (pH 4.5-6) 1.24 3.49 -59.13 3 5 1 72 301.395 4

Activity (Go SEA)

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