UCSF

ZINC00201049

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 19 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) 2.05 -1.2 -15.21 1 4 0 46 259.353 5
Mid Mid (pH 6-8) -1.36 -1.04 -34.13 2 4 1 48 260.361 5

Activity (Go SEA)

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