UCSF

ZINC23008965

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 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) 3.10 9.19 -43.11 2 5 1 50 371.53 5
Mid Mid (pH 6-8) 3.66 6.13 -8.62 1 5 0 52 370.522 4

Activity (Go SEA)

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