UCSF

ZINC00300019

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 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) 0.12 5.1 -7.72 0 4 0 63 190.202 4
Lo Low (pH 4.5-6) 0.12 5.37 -39.83 1 4 1 64 191.21 4

Activity (Go SEA)

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