UCSF

ZINC24955692

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 26 No

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) 2.20 4.58 -40.32 0 9 -1 122 381.386 9
Mid Mid (pH 6-8) 2.20 4.55 -15.13 1 9 0 120 382.394 9

Activity (Go SEA)

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