UCSF

ZINC36797287

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 1.02 5.99 -90.57 4 4 2 58 256.353 3
Hi High (pH 8-9.5) 1.02 5.13 -6.97 2 4 0 55 254.337 3
Mid Mid (pH 6-8) 1.02 5.53 -47.9 3 4 1 57 255.345 3
Mid Mid (pH 6-8) 1.02 6.52 -174.32 5 4 3 59 257.361 3

Activity (Go SEA)

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