UCSF

ZINC27526035

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2009 24 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) 0.50 8.12 -59.15 0 5 -1 65 333.314 3
Mid Mid (pH 6-8) -2.25 7.16 -23.22 1 5 0 68 334.322 2

Activity (Go SEA)

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