UCSF

ZINC32021359

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 16 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) -1.93 0.69 -45.05 4 4 1 60 220.296 2
Hi High (pH 8-9.5) -1.93 0.34 -7.63 3 4 0 58 219.288 2
Mid Mid (pH 6-8) -1.93 2.06 -109.15 5 4 2 65 221.304 2
Mid Mid (pH 6-8) -1.93 1.77 -49.53 4 4 1 63 220.296 2

Activity (Go SEA)

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