UCSF

ZINC24229821

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 26 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) 4.06 8.93 -10 0 3 0 24 382.451 4
Mid Mid (pH 6-8) 4.06 11.26 -55.95 1 3 1 25 383.459 4

Activity (Go SEA)

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