UCSF

ZINC12946281

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 27 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) 4.57 8.23 -55.99 1 6 -1 95 383.811 6
Mid Mid (pH 6-8) 5.02 7.93 -98.21 0 6 -2 98 382.803 6

Activity (Go SEA)

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