UCSF

ZINC45693472

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 15 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) 1.03 5.6 -83.21 4 3 2 33 215.385 6
Hi High (pH 8-9.5) 1.03 4.12 -109.15 4 3 2 33 215.385 6
Hi High (pH 8-9.5) 1.03 2.16 -36.39 3 3 1 32 214.377 6
Mid Mid (pH 6-8) 1.03 3.64 -99.77 4 3 2 36 215.385 6

Activity (Go SEA)

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