UCSF

ZINC49512379

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 28 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) 0.78 5.12 -46.78 3 8 1 88 384.46 7
Hi High (pH 8-9.5) 0.96 2.04 -49.53 1 8 -1 93 382.444 7
Mid Mid (pH 6-8) 0.78 2.91 -9.69 2 8 0 87 383.452 7

Activity (Go SEA)

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