UCSF

ZINC36078510

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 23 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) 3.07 6.51 -60.61 1 5 0 56 337.489 4
Hi High (pH 8-9.5) 3.07 4.36 -42.97 0 5 -1 55 336.481 4
Mid Mid (pH 6-8) 3.07 4.19 -10.56 1 5 0 53 337.489 4

Activity (Go SEA)

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