UCSF

ZINC31420499

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 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) 3.81 7.13 -15.44 2 4 0 62 306.365 4
Lo Low (pH 4.5-6) 3.81 7.49 -38.93 3 4 1 63 307.373 4

Activity (Go SEA)

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