UCSF

ZINC36070095

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.82 10.16 -55.06 2 6 1 68 385.513 6
Hi High (pH 8-9.5) 1.82 7.74 -17.82 1 6 0 67 384.505 6

Activity (Go SEA)

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